Full configuration interaction simulations of exchange-coupled donors in silicon using multi-valley effective mass theory

Joecker, Benjamin; Baczewski, Andrew D.; Gamble, John K.; Pla, Jarryd J.; Saraiva, André; Morello, Andrea

doi:10.1088/1367-2630/ac0abf

Full configuration interaction simulations of exchange-coupled donors in silicon using multi-valley effective mass theory

Journal Article · Tue Jul 13 00:00:00 EDT 2021 · New Journal of Physics

DOI:https://doi.org/10.1088/1367-2630/ac0abf· OSTI ID:1835348

; Baczewski, Andrew D.; Gamble, John K.; Pla, Jarryd J.; Saraiva, André;

Abstract

Donor spins in silicon have achieved record values of coherence times and single-qubit gate fidelities. The next stage of development involves demonstrating high-fidelity two-qubit logic gates, where the most natural coupling is the exchange interaction. To aid the efficient design of scalable donor-based quantum processors, we model the two-electron wave function using a full configuration interaction method within a multi-valley effective mass theory. We exploit the high computational efficiency of our code to investigate the exchange interaction, valley population, and electron densities for two phosphorus donors in a wide range of lattice positions, orientations, and as a function of applied electric fields. The outcomes are visualized with interactive images where donor positions can be swept while watching the valley and orbital components evolve accordingly. Our results provide a physically intuitive and quantitatively accurate understanding of the placement and tuning criteria necessary to achieve high-fidelity two-qubit gates with donors in silicon.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: NA0003525

OSTI ID:: 1835348

Alternate ID(s):: OSTI ID: 23178039

Journal Information:: New Journal of Physics, Journal Name: New Journal of Physics Journal Issue: 7 Vol. 23; ISSN 1367-2630

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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